%chk=000215081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215081

0 1
O 2.791455 -1.751928 1.201232
O -1.146779 -3.095780 -0.830279
N 0.882922 -0.524385 0.457350
N -0.263070 -0.935591 -0.319929
N 0.936328 -2.819083 0.231880
C 1.533924 0.736312 -0.066745
C 2.422007 1.295579 1.060724
C 2.344115 0.494780 -1.354199
C 3.081258 2.601410 0.599672
C 3.004806 1.803257 -1.807060
C 3.880323 2.398537 -0.695355
C 1.710911 -1.697919 0.674318
C -0.302613 -2.396116 -0.337857
C -1.502379 -0.224578 -0.040810
C -2.548920 -0.415172 -0.963604
C -1.656179 0.645802 1.047236
C -3.740420 0.285024 -0.794963
C -2.854755 1.346583 1.197636
C -3.903395 1.175377 0.281916
C -5.188829 1.917911 0.443300
H 0.700537 1.458359 -0.283177
H 3.200622 0.553650 1.342790
H 1.824953 1.464139 1.976142
H 1.686404 0.100853 -2.152272
H 3.122322 -0.275014 -1.183111
H 3.748531 2.979311 1.397969
H 2.312174 3.383425 0.449934
H 2.229570 2.533564 -2.109672
H 3.616596 1.617548 -2.710359
H 4.310187 3.361431 -1.028346
H 4.741488 1.729535 -0.500216
H 1.225430 -3.788843 0.319629
H -2.429588 -1.116116 -1.793299
H -0.854944 0.775056 1.776117
H -4.553950 0.138017 -1.504792
H -2.972611 2.026180 2.040575
H -5.163631 2.640080 1.269672
H -5.446571 2.479524 -0.466178
H -6.021728 1.227783 0.645330


%chk=000215081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215081

0 1
O 3.006438 -1.885986 0.868573
O -1.274002 -3.286602 -0.590342
N 0.976021 -0.706522 0.386776
N -0.293256 -1.133904 -0.162518
N 0.967521 -2.940280 0.185314
C 1.541505 0.614146 -0.049871
C 2.360262 1.250311 1.096586
C 2.370153 0.492880 -1.353218
C 2.900700 2.634156 0.660522
C 2.913693 1.879690 -1.777632
C 3.733740 2.533446 -0.640103
C 1.794523 -1.849406 0.536583
C -0.318014 -2.552166 -0.245690
C -1.461340 -0.313774 -0.023138
C -2.546225 -0.505359 -0.914287
C -1.548145 0.662372 0.999123
C -3.707656 0.277571 -0.768448
C -2.713585 1.450101 1.113310
C -3.814579 1.273795 0.238470
C -5.074757 2.109891 0.375160
H 0.664220 1.259195 -0.248752
H 3.197076 0.577153 1.357430
H 1.724340 1.347081 1.997595
H 1.741951 0.060903 -2.156357
H 3.217564 -0.197350 -1.176639
H 3.512084 3.064475 1.476184
H 2.050831 3.329489 0.495757
H 2.066455 2.543802 -2.048368
H 3.534887 1.770066 -2.686857
H 4.079752 3.538381 -0.949379
H 4.640033 1.924456 -0.446335
H 1.273092 -3.910512 0.225893
H -2.480616 -1.270581 -1.691650
H -0.724034 0.783566 1.709425
H -4.546347 0.116177 -1.456332
H -2.771188 2.203830 1.907441
H -4.964594 2.885592 1.152257
H -5.328458 2.616595 -0.574607
H -5.943547 1.481821 0.649321


